2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]-N-(3-cyanophenyl)butanamide
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]-N-(3-cyanophenyl)butanamide
2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]-N-(3-cyanophenyl)butanamide
Compound characteristics
| Compound ID: | D579-0500 |
| Compound Name: | 2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]-N-(3-cyanophenyl)butanamide |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C20 H16 Cl N5 O2 |
| Smiles: | CCC(C(Nc1cccc(C#N)c1)=O)N1C(N=C(C=N1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0706 |
| logD: | 4.0697 |
| logSw: | -4.3928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.598 |
| InChI Key: | HRNBLELTDKANMJ-SFHVURJKSA-N |